3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine

C17H18N2O2 — CID 114821364

IUPAC3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccc(C(C)C)cc2)co1
InChIInChI=1S/C17H18N2O2/c1-10(2)12-4-6-13(7-5-12)15-16(19-21-17(15)18)14-8-11(3)20-9-14/h4-10H,18H2,1-3H3
InChIKeyJOVFYYVUQMQHPA-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.62
Rot. Bonds3

About 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine

3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 114821364) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID114821364
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccc(C(C)C)cc2)co1
InChIInChI=1S/C17H18N2O2/c1-10(2)12-4-6-13(7-5-12)15-16(19-21-17(15)18)14-8-11(3)20-9-14/h4-10H,18H2,1-3H3
InChIKeyJOVFYYVUQMQHPA-UHFFFAOYSA-N
XLogP4.62
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 79802924
4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63079960
4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine
CID 43336217
3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 103119559
4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 114821385
3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830488
4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
CID 106753207
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 43158460
3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 81291675
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 114821364) is 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2ccc(C(C)C)cc2)co1.
What is the InChIKey of 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is JOVFYYVUQMQHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10(2)12-4-6-13(7-5-12)15-16(19-21-17(15)18)14-8-11(3)20-9-14/h4-10H,18H2,1-3H3.
What are the key properties of 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 282.34 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 114821364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).